Hexacarbonylmolybdenum(O) (Mo(12C16O)6)
- Formula: 12C6Mo16O6
- Molecular weight: 263.93
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Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Oh Symmetry Number σ = 24
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1g | 1 | CO str | 2117 | C | ia | 2116.7 M | solid solid | |||
| a1g | 2 | MoC str | 402 | C | ia | 402.2 S | solid solid | |||
| eg | 3 | CO str | 2019 | C | ia | 2018.8 M | solid solid | |||
| eg | 4 | MoC str | 392 | C | ia | 392 W | solid solid | |||
| f1g | 5 | MoCO bend | 342 | D | ia | ia | OC(ν5+ν7) | |||
| f1u | 6 | CO str | 2003 | B | 2003.0 VS | gas | ia | |||
| f1u | 7 | MoC str | 596 | B | 595.6 VS | gas | ia | |||
| f1u | 8 | MoCO bend | 367 | B | 367.2 S | gas | ia | |||
| f1u | 9 | CMoC deform | 82 | B | 81.6 M | gas | ia | |||
| f2g | 10 | MoCO bend | 448 | D | ia | 448.3 | liq. | |||
| f2g | 11 | CMoC deform | 86 | D | ia | 86.0 S | liq. | |||
| f2u | 12 | MoCO bend | 507 | D | ia | ia | OC(ν5+ν12,ν10+ν12) | |||
| f2u | 13 | CMoC deform | 60 | E | ia | ia | OC(ν3+ν13,ν10+ν13) | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| ia | Inactive |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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